Geometry & MOs

Info

ID:	214688
PubChem CID:	85083416
Reduced:	N5O8C28H43 (1)
Stoich.:	A5B8C28D43 (1)
Weight, g/mol:	576.05752
ΔH_f, kcal/mol:	-389.41
Dipole, Da:	3.71
IP(EA), eV:	-9.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 3-aminobenzoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations